SCHEMBL8705608

SCHEMBL8705608

CCC(C)(C)N(c1ccnc(C)c1Cl)C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CHEK1 O14757 1/20 0.30
NTRK1 P04629 1/20 0.30
FYN P06241 1/20 0.30
RET P07949 1/20 0.30
MET P08581 1/20 0.30
PDGFRB P09619 1/20 0.30
PIM1 P11309 1/20 0.30
FGFR1 P11362 1/20 0.30
PDGFRA P16234 1/20 0.30
LTK P29376 1/20 0.30
MAP2K2 P36507 1/20 0.30
FLT3 P36888 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
CDK8 P49336 1/20 0.30
GSK3B P49841 1/20 0.30
CDK7 P50613 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9033671 0.87 JAK3 (0.34) JAK3JAK2JAK1CHEK1NTRK1
SCHEMBL8414954 0.85 JAK3 (0.37) JAK3JAK2JAK1CHEK1NTRK1
SCHEMBL8705045 0.81 MEN1 (0.35) JAK3JAK2JAK1
SCHEMBL8705292 0.81 TSHR (0.35) JAK3JAK2JAK1
SCHEMBL9034315 0.75 JAK3 (0.33) JAK3JAK2JAK1CHEK1NTRK1
SCHEMBL8416637 0.70 MEN1 (0.36) JAK3JAK2JAK1
SCHEMBL8840396 0.70 MEN1 (0.33) JAK3JAK2JAK1
SCHEMBL8840572 0.70 JAK2 (0.31) JAK3JAK2JAK1
SCHEMBL9035643 0.70 ALDH1A1 (0.33) JAK3JAK2JAK1
SCHEMBL8417787 0.69 JAK3 (0.37) JAK3JAK2JAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723450-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 US disclosed